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	hartrees
Energy at 0K	-79.033287
Energy at 298.15K	-79.037155
HF Energy	-78.628150
Nuclear repulsion energy	37.083581

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3200	3082
2	A'	3081	2967
3	A'	3006	2895
4	A'	1508	1453
5	A'	1495	1440
6	A'	1413	1360
7	A'	1082	1042
8	A'	993	957
9	A'	489	471
10	A"	3283	3161
11	A"	3119	3003
12	A"	1506	1450
13	A"	1210	1165
14	A"	817	787
15	A"	130	126

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.693	0.000
C2	-0.011	0.793	0.000
H3	1.007	-1.097	0.000
H4	-0.509	-1.092	0.882
H5	-0.509	-1.092	-0.882
H6	0.072	1.342	-0.921
H7	0.072	1.342	0.921

	C1	C2	H3	H4	H5	H6	H7
C1		1.4863	1.0950	1.0882	1.0882	2.2355	2.2355
C2	1.4863		2.1463	2.1396	2.1396	1.0756	1.0756
H3	1.0950	2.1463		1.7536	1.7536	2.7690	2.7690
H4	1.0882	2.1396	1.7536		1.7635	3.0841	2.5025
H5	1.0882	2.1396	1.7536	1.7635		2.5025	3.0841
H6	2.2355	1.0756	2.7690	3.0841	2.5025		1.8425
H7	2.2355	1.0756	2.7690	2.5025	3.0841	1.8425

All results from a given calculation for C₂H₅ (Ethyl radical)

using model chemistry: MP4=FULL/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C2H5 (Ethyl radical)

using model chemistry: MP4=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₅ (Ethyl radical)